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13031-32-8

13031-32-8 Structure

13031-32-8 Structure
IdentificationMore
[Name]

NITROMETHANE-D3
[CAS]

13031-32-8
[Synonyms]

NITROMETHANE-D3
TRIDEUTERONITROMETHANE
Perdeuteronitromethane
Trideuterionitromethane
trideuterio-nitromethane
trideuterio-nitro-methane
Nitromethanedisotopicpurity
nitro(2H3)methane
NITROMETHANE-D3, 99 ATOM % D
NITROMETHANE-D3, 99 ATOM % D (1PK=10 X 1 ML)
NITROMETHANE-D3, 99 ATOM % D (CONTAINS 1 % V/V TMS)
NITROMETHANE-D3, 99 ATOM % D (1PK=5 X 0. 5ML)
isotopicpurity99%
Nitromethane-d3, 99 atom % D, for NMR
Nitromethane-d3, packaged in 1.00 ml ampules, 99 atom % D, for NMR
Methane-d3, nitro-
NITROMETHANE-D3, ISOTOPIC PURITY 99%
Nitromethane-d3, 99%(Isotopic)
[EINECS(EC#)]

235-892-2
[Molecular Formula]

CD3NO2
[MDL Number]

MFCD00044214
[Molecular Weight]

64.06
[MOL File]

13031-32-8.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-29°C
[Boiling point ]

100 °C(lit.)
[density ]

1.183 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.3795(lit.)
[Fp ]

95 °F
[storage temp. ]

Flammables area
[solubility ]

117g/l
[form ]

Liquid
[color ]

Colorless
[Stability:]

May detonate if sensitized by amines, alkalies, strong acids, high temperatures or adiabatic compression. The dry alkali or amine salts are shock-sensitive and the sodium salt ignites on contact with water. Flammable. Incompatible with amines, strong acids, strong bases, strong oxidizing agents, strong reducing agents, copper, copper alloys,
[explosive limit]

7.1-63%(V)
[Sensitive ]

Hygroscopic
[BRN ]

1751076
[Exposure limits]

ACGIH: TWA 20 ppm
OSHA: TWA 100 ppm(250 mg/m3)
NIOSH: IDLH 750 ppm
[CAS DataBase Reference]

13031-32-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R5:Heating may cause an explosion.
R10:Flammable.
R22:Harmful if swallowed.
[Safety Statements ]

S41:In case of fire and/or explosion do not breathe fumes .
[RIDADR ]

UN 1261 3/PG 2
[WGK Germany ]

3
[F ]

10
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

28459000
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Definition]

ChEBI: Nitromethane-d3 is a deuterated compound, a primary nitroalkane and a volatile organic compound.
[General Description]

Nitromethane-d3 is a deuterated derivative of nitromethane. Its pyrolytic decomposition in the absence and presence of nitrogen dioxide have been studied. Molecular structure studies suggest that its molecule is composed of a highly asymetrical top consisting of a heavy planar frame of NO2 (C2v symmetry) and a lighter top of CD3 (C3v symmetry). Rotational constants, high-resolution Fourier transform infrared (FTIR) spectrum and DFT (Density Functional Theory) calculations of nitromethane-d3 have been evaluated. Various physicochemical properties (densities, viscosities, speed of sound and refractive indices) of CD3NO2 have been evaluated in the temperature range of 293K to 308K.
Spectrum DetailBack Directory
[Spectrum Detail]

NITROMETHANE-D3(13031-32-8)1HNMR
NITROMETHANE-D3(13031-32-8)Raman
NITROMETHANE-D3(13031-32-8)FT-IR
NITROMETHANE-D3(13031-32-8)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Nitromethane-d3, packaged in 1.00 ml ampules, 99 atom % D, for NMR(13031-32-8)
[Alfa Aesar]

Nitromethane-d3, 99%(Isotopic)(13031-32-8)
[Sigma Aldrich]

13031-32-8(sigmaaldrich)
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